CHEBI:1178 - (2S)-2-isopropylmalate(2−)

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ChEBI Name (2S)-2-isopropylmalate(2−)
ChEBI ID CHEBI:1178
ChEBI ASCII Name (2S)-2-isopropylmalate(2-)
Definition A 2-isopropylmalate(2−) with S-configuration at the chiral centre.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H10O5
Net Charge -2
Average Mass 174.152
Monoisotopic Mass 174.053
InChI InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/p-2/t7-/m0/s1
InChIKey BITYXLXUCSKTJS-ZETCQYMHSA-L
SMILES C(C(=O)[O-])[C@](C(=O)[O-])(O)C(C)C
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
(via 2-isopropylmalate(2-) )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2S)-2-isopropylmalate(2−) (CHEBI:1178) is a 2-isopropylmalate(2−) (CHEBI:28107)
(2S)-2-isopropylmalate(2−) (CHEBI:1178) is conjugate base of (2S)-2-isopropylmalic acid (CHEBI:35128)
Incoming (2S)-2-isopropylmalic acid (CHEBI:35128) is conjugate acid of (2S)-2-isopropylmalate(2−) (CHEBI:1178)
IUPAC Name
(2S)-2-hydroxy-2-(propan-2-yl)butanedioate
Synonyms Sources
(2S)-2-isopropylmalate UniProt
(2S)-2-Isopropylmalate KEGG COMPOUND
Database Links Databases
3-CARBOXY-3-HYDROXY-ISOCAPROATE MetaCyc
C02504 KEGG COMPOUND
View more database links
Last Modified
15 February 2017